SCHEMBL9548469

SCHEMBL9548469

O=C(O)CCC(=O)OC(C(=O)O)C(OC(=O)C(O)C(O)C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
KDM2A Q9Y2K7 3/20 0.33
EGLN1 Q9GZT9 2/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
TET2 Q6N021 3/20 0.32
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
TET3 O43151 1/20 0.32
LMNA P02545 2/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cadaverine Tartrate SCHEMBL6754064 0.87 TSHR (0.40) TSHRMMP1MMP2MMP3MMP9
SCHEMBL94758 0.85 MMP1 (0.38) TSHRMMP1MMP2MMP3MMP9
SCHEMBL68486 0.84 LMNA (0.45) TSHRMMP1MMP2MMP3MMP9
SCHEMBL27944171 0.82 TSHR (0.53) TSHRMMP1MMP2MMP3MMP9
SCHEMBL27558802 0.81 MMP1 (0.36) TSHRMMP1MMP2MMP3MMP9
SCHEMBL27553498 0.80 TSHR (0.50) TSHRMMP1MMP2MMP3MMP9
SCHEMBL1168152 0.78 MMP1 (0.42) TSHRMMP1MMP2MMP3MMP9
Cadaverine Tartrate SCHEMBL8321372 0.77 TSHR (0.42) TSHRKDM2AEGLN1KDM6BKDM5C
SCHEMBL27314245 0.77 TSHR (0.42) TSHRKDM2AEGLN1KDM6BKDM5C
SCHEMBL2200092 0.76 TSHR (0.50) TSHRMMP1MMP2MMP3MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550606-A1 NONIONIC SURFACTANT SYSTEMS CONTAINING POLYHYDROXY FATTY ACID AMIDES AND ONE OR MORE ADDITIONAL NONIONIC SURFACTANTS. PROCTER & GAMBLE (US) 1993-07-14 EP disclosed
WO-1992006160-A1 NONIONIC SURFACTANT SYSTEMS CONTAINING POLYHYDROXY FATTY ACID AMIDES AND ONE OR MORE ADDITIONAL NONIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1992-04-16 WO disclosed